SCHEMBL8325290

SCHEMBL8325290

Nc1ccc(-c2ccc(CCC(O)CC(=O)O)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 13/20 0.77
MMP13 P45452 10/20 0.77
MMP2 P08253 1/20 0.77
MMP9 P14780 1/20 0.77
MMP14 P50281 1/20 0.77
DPP4 P27487 1/20 0.43
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
FFAR1 O14842 1/20 0.42
GFER P55789 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5613354 0.87 MMP12 (1.00) MMP12MMP13MMP2MMP9MMP14
SCHEMBL8325840 0.86 MMP12 (0.74) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5613401 0.85 MMP12 (0.79) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5613464 0.84 MMP12 (0.77) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5613537 0.84 MMP12 (0.77) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5660776 0.84 MMP12 (0.77) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5613397 0.81 MMP12 (1.00) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5613430 0.80 MMP12 (0.72) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5613483 0.80 MMP12 (1.00) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5613380 0.80 MMP12 (1.00) MMP12MMP13MMP2MMP9MMP14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004110974-A1 MATRIX METALLOPROTEINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-23 WO disclosed